Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Atorvastatin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 10/20 | 1.00 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 3/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 2/20 | 1.00 |
| ▸ | HDAC2 | Q92769 | 2/20 | 1.00 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | RHOC | P08134 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | THRB | P10828 | 1/20 | 1.00 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.87 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.87 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.87 |
| ▸ | PDE6D | O43924 | 3/20 | 0.77 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.58 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.58 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21637576 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3056792 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL4201645 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL13900412 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL465015 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL8257670 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3831 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL6266705 | 1.00 | HMGCR (1.00) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL3930191 | 0.99 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Atorvastatin SCHEMBL7037657 | 0.99 | HMGCR (0.98) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | claimed |
| CN-111184717-A | Composition containing mixture of pyrrolyl dihydroxy heptanoic acid derivatives and use thereof | 黄泳华 | 2020-05-22 | — | — | CN | claimed |
| CN-111110854-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-05-08 | — | — | CN | claimed |
| CN-111068064-A | Composition comprising fatty acid or derivative thereof and dihydroxyheptanoic acid derivative | 黄泳华 | 2020-04-28 | — | — | CN | claimed |
| EP-2413911-B1 | PROGRESSIVE EMULSION CRYSTALLIZATION | KRKA D D NOVO MESTO (SI) | 2014-02-19 | — | — | EP | claimed |
| EP-1470106-B1 | METHOD OF MANUFACTURING AN AMORPHOUS FORM OF THE HEMI-CALCIUM SALT OF (3R, 5R) 7- 3-PHENYL-4-PHENYLCARBAMOYL-2-(4-FLUOROPHENYL)-5-ISOPROPYL-PYRROL-1-YL]-3, 5-DIHYDROXYHEPTANOIC ACID (ATORVASTATIN) | ZENTIVA KS (CZ) | 2010-09-08 | — | — | EP | claimed |
| EP-1061073-B1 | (R-(R*R*))-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl-3-phenyl-4((phenylamino)-carbonyl)-1H-pyrrole-1-heptanoic acid, its lactone form and salts thereof | WARNER LAMBERT CO (US) | 2004-06-30 | — | — | EP | claimed |
| CN-116322710-A | Pharmaceutical composition comprising gamma-cyclodextrin polymer and use thereof | 株式会社雷纳图斯 | 2023-06-23 | — | — | CN | disclosed |
| CN-112274646-B | Amphiphilic protein-macromolecule conjugate delivery system for targeted activation of CD44 molecules, preparation method and application thereof | 北京茵诺医药科技有限公司 | 2023-06-02 | — | — | CN | disclosed |
| EP-4052695-A1 | STABLE ORAL FIXED-DOSE IMMEDIATE RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING AMLODIPINE, ATORVASTATIN AND CANDESARTAN CILEXETIL | Midas Pharma GmbH (DE) | 2022-09-07 | — | — | EP | disclosed |
| CN-115006390-A | Virus attenuation preparation, preparation method and application thereof | 国药集团动物保健股份有限公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-111494369-B | Compound pharmaceutical composition for coronary heart disease | 上海市第五人民医院 | 2022-07-01 | — | — | CN | disclosed |
| US-11344548-B2 | Analogs of 3,5-dihydroxypentanoate for bone formation | KAOHSIUNG MEDICAL UNIVERSITY (TW) | 2022-05-31 | — | — | US | disclosed |
| US-5280126-A | Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis | WARNER-LAMBERT COMPANY (US) | 1994-01-18 | — | — | US | disclosed |
| US-5216174-A | Process for trans-6-[12-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis | WARNER-LAMBERT CO. (US) | 1993-06-01 | — | — | US | disclosed |
| US-5149837-A | Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis | WARNER-LAMBERT COMPANY (US) | 1992-09-22 | — | — | US | disclosed |
| US-5124482-A | Process for trans-6-(2-substituted-pyrrol-1-yl)alkyl)pyran-2-one inhibitors of cholesterol synthesis | WARNER-LAMBERT COMPANY (US) | 1992-06-23 | — | — | US | disclosed |
| US-5097045-A | Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis | WARNER-LAMBERT COMPANY (US) | 1992-03-17 | — | — | US | disclosed |
| US-5003080-A | Process for trans-6-(2-(substituted-pyrrol-1-yl)alkyl)pryan-2-one inhibitors of cholesterol synthesis | WARNER-LAMBERT COMPANY (US) | 1991-03-26 | — | — | US | disclosed |
| EP-0330172-A2 | Improved process for trans-6-[2-(substituted-pyrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis | WARNER-LAMBERT COMPANY (US) | 1989-08-30 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11344548-B2 | Analogs of 3,5-dihydroxypentanoate for bone formation | CYP24A1, CYP27B1, CYP2R1 | HMGCR 43/4885SLCO1B1 3287/4885ABCB11 4062/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.